UCSF

ZINC39914706

Substance Information

In ZINC since Heavy atoms Benign functionality
March 16th, 2010 34 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 5.58 10.16 -9.87 2 6 0 78 473.96 6
Mid Mid (pH 6-8) 5.58 10.92 -47.43 1 6 -1 81 472.952 6

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )